General Information of the Compound
| Compound ID |
CP0470869
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| Compound Name |
3-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypropanamide
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| Structure |
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| Formula |
C24H33N7O6S
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| Molecular Weight |
547.638
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| Canonical SMILES |
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CCC(=O)NO)CC1
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| InChI |
InChI=1S/C24H33N7O6S/c1-4-6-18-21-22(29(3)27-18)24(33)26-23(25-21)17-15-16(7-8-19(17)37-5-2)38(35,36)31-13-11-30(12-14-31)10-9-20(32)28-34/h7-8,15,34H,4-6,9-14H2,1-3H3,(H,28,32)(H,25,26,33)
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| InChIKey |
WQAWXCMACOECMF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01176, cGMP-specific 3',5'-cyclic phosphodiesterase
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00835, Histone deacetylase 2
Protein ID: PT01213, Histone deacetylase 6